27652-24-0 (2-[(1S,2S,4Ar,8R,8aS)-1,8-二羟基-4a,8-二甲基-1,2,3,4,5,6,7,8a-八氢萘-2-基]丙-2-烯酸,2-[(1S,2S,4Ar,8R,8aS)-1,8-dihydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid)

CAS号:
27652-24-0
中文名称:
2-[(1S,2S,4Ar,8R,8aS)-1,8-二羟基-4a,8-二甲基-1,2,3,4,5,6,7,8a-八氢萘-2-基]丙-2-烯酸
英文名称:
2-[(1S,2S,4Ar,8R,8aS)-1,8-dihydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
分子式:
C15H24O4
分子量:
268.348665237427

2-[(1S,2S,4Ar,8R,8aS)-1,8-二羟基-4a,8-二甲基-1,2,3,4,5,6,7,8a-八氢萘-2-基]丙-2-烯酸(27652-24-0)名称与标识符

名称

英文别名:
2-Naphthaleneaceticacid, decahydro-1,8-dihydroxy-4a,8-dimethyl-a-methylene-, (1S,2S,4aR,8R,8aS)-;(1S,8aβ)-Decahydro-1β,8β-dihydroxy-4aα,8-dimethyl-α-methylene-2α-naphthaleneacetic acid;2-Naphthaleneaceticacid, decahydro-1,8-dihydroxy-4a,8-dimethyl-a-methylene-, [1S-(1a,2b,4ab,8a,8aa)]-;4aH-Eudesm-11(13)-en-12-oic acid,4,6a-dihydroxy- (8CI);Arbusculin E;2-[(1S,2S,4Ar,8R,8aS)-1,8-dihydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-e;[1S-(1alpha,2beta,4abeta,8alpha,8aalpha)]-Decahydro-1,8-dihydroxy-4a,8-dimethyl-a-methylene-2-naphthaleneacetic acid;

标识符

InChIKey:
HNUWMSRPWULZEZ-CWFCOSEVSA-N
Inchi:
1S/C15H24O4/c1-9(13(17)18)10-5-8-14(2)6-4-7-15(3,19)12(14)11(10)16/h10-12,16,19H,1,4-8H2,2-3H3,(H,17,18)/t10-,11-,12+,14+,15+/m0/s1
SMILES:
O[C@]1(C)CCC[C@]2(C)CC[C@@H](C(=C)C(=O)O)[C@@H]([C@H]21)O

2-[(1S,2S,4Ar,8R,8aS)-1,8-二羟基-4a,8-二甲基-1,2,3,4,5,6,7,8a-八氢萘-2-基]丙-2-烯酸(27652-24-0)物化性质

计算特性

  • 氢键供体数量 : 3
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 2
  • 重原子数量 : 19
  • 复杂度 : 405
  • 疏水参数计算参考值(XlogP) : 2
  • 拓扑分子极性表面积 : 77.8